[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl]-ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]ammonium CAS Name: [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium Traditional Name: [2-(1-adamantylcarbamoylamino)-2-keto-ethyl]-ethyl-(3-fluoro-4-methoxy-benzyl)ammonium Formula: C23H33FN3O3+ MolecularWeight: 418.524823

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H32FN3O3/c1-3-27(13-15-4-5-20(30-2)19(24)9-15)14-21(28)25-22(29)26-23-10-16-6-17(11-23)8-18(7-16)12-23/h4-5,9,16-18H,3,6-8,10-14H2,1-2H3,(H2,25,26,28,29)/p+1